CID 5274480

N-butyl-2-(4-oxo-2-phenyl-chromen-6-yl)-3h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C27H24N4O2
SMILES
CCCCN=C(C1=CC2=C(C=C1)N=C(N2)C3=CC4=C(C=C3)OC(=CC4=O)C5=CC=CC=C5)N
InChI
InChI=1S/C27H24N4O2/c1-2-3-13-29-26(28)18-9-11-21-22(15-18)31-27(30-21)19-10-12-24-20(14-19)23(32)16-25(33-24)17-7-5-4-6-8-17/h4-12,14-16H,2-3,13H2,1H3,(H2,28,29)(H,30,31)
InChIKey
DPGYTSZYAOMUSY-UHFFFAOYSA-N
Compound name
N'-butyl-2-(4-oxo-2-phenylchromen-6-yl)-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.1899 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19718 208.0
[M+Na]+ 459.17912 216.4
[M-H]- 435.18262 217.7
[M+NH4]+ 454.22372 216.0
[M+K]+ 475.15306 209.0
[M+H-H2O]+ 419.18716 196.4
[M+HCOO]- 481.18810 227.9
[M+CH3COO]- 495.20375 216.7
[M+Na-2H]- 457.16457 211.3
[M]+ 436.18935 210.4
[M]- 436.19045 210.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.